2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione

C18H17NO5 — CID 2880296

IUPAC2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione
SMILESCOc1ccc(OCC(O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H17NO5/c1-23-13-6-8-14(9-7-13)24-11-12(20)10-19-17(21)15-4-2-3-5-16(15)18(19)22/h2-9,12,20H,10-11H2,1H3
InChIKeyBWUGYJXSRWLBDZ-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.73
Rot. Bonds6

About 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione

2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione (PubChem CID 2880296) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione
PubChem CID2880296
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione
SMILESCOc1ccc(OCC(O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H17NO5/c1-23-13-6-8-14(9-7-13)24-11-12(20)10-19-17(21)15-4-2-3-5-16(15)18(19)22/h2-9,12,20H,10-11H2,1H3
InChIKeyBWUGYJXSRWLBDZ-UHFFFAOYSA-N
XLogP1.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-3-[4-[(2R)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]isoindole-1,3-dione
CID 1102637
2-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]isoindole-1,3-dione
CID 40804129
2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione
CID 10359060
2-[(2R)-2-hydroxy-3-(4-isocyanophenoxy)propyl]isoindole-1,3-dione
CID 140774849
2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione
CID 715638
ethyl 4-[(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropoxy]benzoate
CID 26007482
2-[2-hydroxy-3-(4-methoxyanilino)propyl]isoindole-1,3-dione
CID 171988818
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)propanoic acid
CID 102005725
5-benzyl-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]imidazolidine-2,4-dione
CID 17489169
6-[2-hydroxy-3-(4-methoxyphenoxy)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127253469
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489
2-[3-(4-ethylphenoxy)-2-hydroxypropyl]-4-nitroisoindole-1,3-dione
CID 51223141

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione (CID 2880296) is 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione is COc1ccc(OCC(O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione?
The InChIKey is BWUGYJXSRWLBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-23-13-6-8-14(9-7-13)24-11-12(20)10-19-17(21)15-4-2-3-5-16(15)18(19)22/h2-9,12,20H,10-11H2,1H3.
What are the key properties of 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione?
2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione has a molecular weight of 327.34 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione is sourced from PubChem (CID 2880296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).